Download MendeleyCrystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in abortive complex with sisomicin-CoA
Stogios, P.J.To be published.
6MN2
Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in abortive complex with sisomicin-CoA
- PDB DOI: https://doi.org/10.2210/pdb6MN2/pdb
- Classification: TRANSFERASE/ANTIBIOTIC
- Organism(s): uncultured bacterium
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2018-10-01 Released: 2018-10-24
- Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.74 Å
- R-Value Free: 0.270 (Depositor), 0.270 (DCC)
- R-Value Work: 0.249 (Depositor), 0.250 (DCC)
- R-Value Observed: 0.250 (Depositor)
Starting Model: experimental
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This is version 1.2 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Aminoglycoside N(3)-acetyltransferase | 263 | uncultured bacterium | Mutation(s): 1 EC: 2.3.1.81 (PDB Primary Data), 2.3.1 (UniProt) |  | |
UniProt | |||||
Find proteins for A0A059X981 (uncultured bacterium) Explore A0A059X981 Go to UniProtKB: A0A059X981 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A059X981 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| COA Query on COA | C [auth A], I [auth B] | COENZYME A C21 H36 N7 O16 P3 S RGJOEKWQDUBAIZ-IBOSZNHHSA-N |  | ||
| SIS Query on SIS | D [auth A], J [auth B] | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside C19 H37 N5 O7 URWAJWIAIPFPJE-YFMIWBNJSA-N |  | ||
| PEG Query on PEG | H [auth A], L [auth B] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | K [auth B] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| CL Query on CL | E [auth A], F [auth A], G [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.74 Å
- R-Value Free: 0.270 (Depositor), 0.270 (DCC)
- R-Value Work: 0.249 (Depositor), 0.250 (DCC)
- R-Value Observed: 0.250 (Depositor)
Space Group: P 31 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 127.755 | α = 90 |
| b = 127.755 | β = 90 |
| c = 95.114 | γ = 120 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| PHENIX | phasing |
| PHENIX | model building |
| Coot | model building |
Entry History & Funding Information
Deposition Data
- Released Date: 2018-10-24 Deposition Author(s): Stogios, P.J., Skarina, T., Michalska, K., Xu, Z., Yim, V., Savchenko, A., Joachimiak, A., Satchell, K.J., Center for Structural Genomics of Infectious Diseases (CSGID)
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | HHSN272201200026C |
| National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | HHSN272201700060C |
Revision History (Full details and data files)
- Version 1.0: 2018-10-24
Type: Initial release - Version 1.1: 2019-12-18
Changes: Author supporting evidence - Version 1.2: 2023-10-11
Changes: Data collection, Database references, Refinement description
